SCHEMBL8965035

SCHEMBL8965035

O=C(O)COc1cccc(CCn2cc(C(c3ccccc3)c3cccnc3)cn2)c1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 11/20 0.55
PTGIR P43119 5/20 0.54
PPARG P37231 1/20 0.42
PPARA Q07869 1/20 0.42
PTGDR Q13258 1/20 0.42
PTGER2 P43116 1/20 0.42
CA12 O43570 2/20 0.41
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA4 P22748 2/20 0.41
CA9 Q16790 2/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8965139 0.93 PTGDR2 (0.61) PTGDR2PTGIRPPARGPPARAPTGDR
SCHEMBL8965728 0.93 PTGDR2 (0.57) PTGDR2PTGIRPPARGPPARAPTGDR
SCHEMBL8804127 0.87 PTGDR2 (0.67) PTGDR2PTGIRPPARGPPARAPTGDR
SCHEMBL8965375 0.86 PTGDR2 (0.63) PTGDR2PTGIRPPARGPPARAPTGDR
SCHEMBL8358618 0.83 PTGIR (0.56) PTGDR2PTGIRPPARGPPARA
SCHEMBL8965748 0.82 PTGIR (0.57) PTGDR2PTGIRPPARA
SCHEMBL8965136 0.81 PPARG (0.46) PTGDR2PTGIRPPARGPPARA
SCHEMBL9262923 0.81 PPARG (0.46) PTGDR2PTGIRPPARGPPARA
SCHEMBL8965077 0.81 PTGDR2 (0.61) PTGDR2PTGIRPPARGPPARAPTGDR
SCHEMBL8965703 0.81 PTGDR2 (0.65) PTGDR2PTGIRPTGDR

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5378716-A Prostaglandin agonists ONO PHARMACEUTICAL CO., LTD. (JP) 1995-01-03 US claimed
EP-0558062-A2 Phenoxyacetic acid derivatives and pharmaceutical compositions containing them ONO PHARMACEUTICAL CO., LTD. (JP) 1993-09-01 EP claimed
US-5536736-A CARDIOVASCULAR DISORDERS ONO PHARMACEUTICAL CO., LTD. (JP) 1996-07-16 US disclosed
US-5378716-A Prostaglandin agonists ONO PHARMACEUTICAL CO., LTD. (JP) 1995-01-03 US disclosed
EP-0558062-A2 Phenoxyacetic acid derivatives and pharmaceutical compositions containing them ONO PHARMACEUTICAL CO., LTD. (JP) 1993-09-01 EP disclosed